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BioLiP

PDB CCD ID: 0WQ
Number of entries in BioLiP: 1
Chemical formula: C9 H10 Br N O
InChI: InChI=1S/C9H10BrNO/c1-7(6-11-12)8-3-2-4-9(10)5-8/h2-7,12H,1H3/b11-6-/t7-/m0/s1
InChIKey: SPBCOZIJYSLWMT-KSRYWAHESA-N
SMILES:
SoftwareSMILES
CACTVS 3.385C[CH](C=NO)c1cccc(Br)c1
OpenEye OEToolkits 2.0.7C[C@@H](/C=N\O)c1cccc(c1)Br
CACTVS 3.385C[C@@H](\C=N/O)c1cccc(Br)c1
OpenEye OEToolkits 2.0.7CC(C=NO)c1cccc(c1)Br
Name:Z-2-(3-bromophenyl) propanal oxime
Reference:
  • Chengxin Zhang, Xi Zhang, Peter L Freddolino, and Yang Zhang. BioLiP2: an updated structure database for biologically relevent ligand-protein interactions, Nucleic Acids Research, gkad630 (2023)(download the PDF file).
  • Jianyi Yang, Ambrish Roy, and Yang Zhang. BioLiP: a semi-manually curated database for biologically relevant ligand-protein interactions, Nucleic Acids Research, 41: D1096-D1103 (2013) (download the PDF file).

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